#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aym n GLN 2 N 0.00 2.57 -1.73 0.00 10.64 -1.26 -4.99 117.38 122.62 2aym n GLN 2 Ca 0.00 0.93 -0.29 0.00 -1.83 0.00 0.00 57.00 55.81 2aym n GLN 2 Cb 0.00 -2.78 0.12 0.00 -0.86 0.00 0.00 30.24 26.72 2aym n GLN 2 CO 0.00 0.00 0.00 0.95 -1.83 0.00 0.00 177.06 176.18 2aym s THR 3 N 1.94 1.99 0.27 -0.39 -4.23 -1.26 -5.12 115.64 108.84 2aym s THR 3 Ca 0.80 0.00 0.04 0.00 -1.18 0.00 0.00 61.69 61.35 2aym s THR 3 Cb -0.56 -2.88 -0.06 0.00 1.34 0.00 0.00 72.50 70.34 2aym s THR 3 CO 0.37 0.00 0.02 -1.61 -0.54 0.00 0.00 174.62 172.86 2aym s GLU 4 N -5.48 1.48 0.22 3.99 0.41 -1.26 -4.63 118.70 113.42 2aym s GLU 4 Ca 0.64 -1.78 -0.10 0.00 -0.41 0.00 0.00 54.97 53.32 2aym s GLU 4 Cb -0.12 -0.75 -0.01 0.00 -1.78 0.00 0.00 34.13 31.47 2aym s GLU 4 CO 0.51 -0.12 0.37 -0.65 -0.49 0.00 0.00 175.26 174.88 2aym s GLN 5 N -3.87 1.39 0.99 1.61 -1.52 -1.26 -5.03 119.66 111.97 2aym s GLN 5 Ca 0.32 -1.29 -0.15 0.00 -1.95 0.00 0.00 55.36 52.29 2aym s GLN 5 Cb 0.07 0.42 0.02 0.00 -0.22 0.00 0.00 33.01 33.29 2aym s GLN 5 CO 0.12 -0.55 0.10 -2.30 -0.25 0.00 0.00 175.29 172.41 2aym n PRO 6 N -0.32 -0.48 -1.51 2.91 -0.02 -1.26 -4.91 135.00 129.41 2aym n PRO 6 Ca -0.02 -0.11 -0.43 0.00 -2.02 0.00 0.00 63.50 60.92 2aym n PRO 6 Cb 0.63 -1.68 -0.00 0.00 -0.02 0.00 0.00 33.50 32.43 2aym n PRO 6 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2aym n PRO 7 N -1.05 0.87 -3.96 0.52 -0.02 -1.26 -4.99 135.00 125.12 2aym n PRO 7 Ca 0.04 0.31 -0.09 0.00 -2.02 0.00 0.00 63.50 61.74 2aym n PRO 7 Cb 0.56 -1.65 -0.10 0.00 -0.02 0.00 0.00 33.50 32.29 2aym n PRO 7 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2aym s ASN 8 N -0.81 0.22 0.59 2.55 2.47 -1.26 -4.96 114.94 113.74 2aym s ASN 8 Ca 0.62 -0.57 0.34 0.00 0.42 0.00 0.00 52.86 53.68 2aym s ASN 8 Cb -0.65 0.20 1.86 0.00 -1.45 0.00 0.00 41.25 41.20 2aym s ASN 8 CO 0.58 -0.47 2.21 -0.61 -3.72 0.00 0.00 177.10 175.09 2aym h GLN 9 N 3.83 0.00 -5.94 0.43 4.15 -1.86 -3.41 115.11 112.31 2aym h GLN 9 Ca -0.32 0.00 -0.55 0.00 0.77 0.00 0.00 58.65 58.55 2aym h GLN 9 Cb 1.18 0.00 -0.25 0.00 0.21 0.00 0.00 27.48 28.62 2aym h GLN 9 CO 0.50 0.04 -0.83 0.42 -1.93 0.00 0.00 178.83 177.03 2aym s ILE 10 N -4.24 1.56 0.07 2.39 1.01 -1.26 -1.34 121.20 119.40 2aym s ILE 10 Ca -0.04 -1.20 0.08 0.00 0.00 0.00 0.00 60.65 59.49 2aym s ILE 10 Cb 0.13 -1.37 -0.03 0.00 0.01 0.00 0.00 42.46 41.20 2aym s ILE 10 CO 0.52 0.13 -0.21 -0.76 0.00 0.00 0.00 174.94 174.61 2aym s LEU 11 N -1.26 2.23 -0.08 2.97 1.43 0.20 -1.19 118.68 122.98 2aym s LEU 11 Ca 0.06 -0.61 0.01 0.00 -1.03 0.00 0.00 54.13 52.56 2aym s LEU 11 Cb -0.09 -0.97 -0.03 0.00 0.03 0.00 0.00 46.19 45.14 2aym s LEU 11 CO 0.02 0.12 -0.08 0.12 0.23 0.00 0.00 176.35 176.76 2aym s PHE 12 N -0.97 2.90 0.07 0.29 5.36 0.03 -1.49 117.98 124.16 2aym s PHE 12 Ca 0.08 -0.11 0.06 0.00 -0.96 0.00 0.00 56.93 56.00 2aym s PHE 12 Cb -0.09 -1.74 -0.03 0.00 -0.34 0.00 0.00 43.02 40.82 2aym s PHE 12 CO 0.03 0.21 -0.16 -0.51 -1.46 0.00 0.00 175.22 173.33 2aym s LEU 13 N -0.55 2.26 0.26 6.12 1.02 0.14 -0.77 118.68 127.15 2aym s LEU 13 Ca 0.08 -0.61 -0.06 0.00 0.02 0.00 0.00 54.13 53.56 2aym s LEU 13 Cb -0.12 -0.64 -0.01 0.00 0.02 0.00 0.00 46.19 45.44 2aym s LEU 13 CO 0.02 -0.02 0.37 0.42 0.02 0.00 0.00 176.35 177.16 2aym s THR 14 N -1.16 0.00 -1.29 5.49 -4.23 -0.19 -1.29 115.64 112.97 2aym s THR 14 Ca 0.01 -1.65 0.00 0.00 -1.18 0.00 0.00 61.69 58.87 2aym s THR 14 Cb -0.10 -2.40 0.00 0.00 1.34 0.00 0.00 72.50 71.34 2aym s THR 14 CO 0.03 0.00 0.00 -3.20 -0.54 0.00 0.00 174.62 170.91 2aym n ASN 15 N -0.63 -5.17 -4.75 3.99 5.15 -0.67 -1.33 115.26 111.85 2aym n ASN 15 Ca 0.00 0.30 -0.31 0.00 -0.60 0.00 0.00 54.58 53.97 2aym n ASN 15 Cb 0.63 -4.02 0.11 0.00 -0.53 0.00 0.00 39.78 35.97 2aym n ASN 15 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2aym s LEU 16 N -2.88 3.00 0.55 1.20 1.43 -0.41 -4.43 118.68 117.15 2aym s LEU 16 Ca 0.00 1.91 -0.19 0.00 -1.03 0.00 0.00 54.13 54.82 2aym s LEU 16 Cb 0.00 -4.53 -0.08 0.00 0.03 0.00 0.00 46.19 41.60 2aym s LEU 16 CO 0.00 -2.26 0.64 -2.65 0.23 0.00 0.00 176.35 172.31 2aym n PRO 17 N -3.66 0.64 0.00 1.29 -0.02 -1.26 -4.24 135.00 127.75 2aym n PRO 17 Ca 0.10 0.24 0.04 0.00 -2.02 0.00 0.00 63.50 61.86 2aym n PRO 17 Cb 0.53 -1.79 0.20 0.00 -0.02 0.00 0.00 33.50 32.42 2aym n PRO 17 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2aym n GLU 18 N -0.15 0.07 -0.03 -0.52 0.28 -1.26 -2.44 120.64 116.59 2aym n GLU 18 Ca 0.12 0.27 0.01 0.00 -0.16 0.00 0.00 57.16 57.40 2aym n GLU 18 Cb 0.46 -1.50 0.03 0.00 1.43 0.00 0.00 31.44 31.86 2aym n GLU 18 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12 2aym n GLU 19 N -1.38 2.94 -1.75 3.44 0.28 -1.26 -4.73 120.64 118.19 2aym n GLU 19 Ca 0.03 -1.61 -0.39 0.00 -0.16 0.00 0.00 57.16 55.03 2aym n GLU 19 Cb 0.08 -1.06 0.04 0.00 1.43 0.00 0.00 31.44 31.93 2aym n GLU 19 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 2aym n THR 20 N -0.36 3.61 -4.11 3.84 -1.04 -1.02 -5.04 114.28 110.16 2aym n THR 20 Ca 0.02 -0.50 -0.11 0.00 -2.04 0.00 0.00 64.05 61.43 2aym n THR 20 Cb 0.29 -1.70 -0.10 0.00 -1.82 0.00 0.00 70.33 67.00 2aym n THR 20 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 2aym s ASN 21 N -0.82 0.90 0.33 8.00 3.84 -1.26 -4.90 114.94 121.03 2aym s ASN 21 Ca 0.69 -0.83 0.10 0.00 0.21 0.00 0.00 52.86 53.04 2aym s ASN 21 Cb -0.42 0.09 0.89 0.00 -0.55 0.00 0.00 41.25 41.26 2aym s ASN 21 CO 0.51 -0.39 1.75 -0.08 -2.79 0.00 0.00 177.10 176.10 2aym h GLU 22 N 3.58 0.58 -0.47 0.43 4.81 -1.96 -0.68 114.58 120.87 2aym h GLU 22 Ca -0.35 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 58.81 2aym h GLU 22 Cb 1.18 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.40 2aym h GLU 22 CO 0.56 0.38 0.16 1.98 -0.73 0.00 0.00 179.01 181.36 2aym h MET 23 N 0.59 0.67 0.33 1.92 4.05 -1.98 -0.51 114.93 120.02 2aym h MET 23 Ca 0.61 -0.10 -0.02 0.00 -0.28 0.00 0.00 59.70 59.91 2aym h MET 23 Cb 1.18 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 31.87 2aym h MET 23 CO -0.41 0.58 -0.16 0.52 0.23 0.00 0.00 176.91 177.67 2aym h MET 24 N 0.67 -0.43 -0.06 0.39 2.86 -1.53 -0.39 114.93 116.43 2aym h MET 24 Ca 0.16 0.03 -0.13 0.00 -2.06 0.00 0.00 59.70 57.70 2aym h MET 24 Cb 0.18 0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 2aym h MET 24 CO -0.01 -0.17 -0.54 -0.07 1.06 0.00 0.00 176.91 177.18 2aym h LEU 25 N -0.65 0.19 0.12 1.22 3.38 -1.52 -1.35 115.31 116.71 2aym h LEU 25 Ca -0.05 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 2aym h LEU 25 Cb 0.46 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2aym h LEU 25 CO 0.08 0.70 -0.06 0.28 0.09 0.00 0.00 178.44 179.53 2aym h SER 26 N 0.14 -0.14 0.17 -0.43 0.02 -0.99 0.47 113.55 112.79 2aym h SER 26 Ca 0.00 -0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 60.88 2aym h SER 26 Cb 1.01 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.57 2aym h SER 26 CO 0.08 -0.08 -0.23 0.00 -1.14 0.00 0.00 176.83 175.45 2aym h MET 27 N -0.18 0.12 0.33 3.45 -0.00 -0.78 0.56 114.93 118.42 2aym h MET 27 Ca -0.02 -0.03 -0.02 0.00 -0.00 0.00 0.00 59.70 59.63 2aym h MET 27 Cb 0.14 -0.01 0.00 0.00 -0.00 0.00 0.00 31.60 31.73 2aym h MET 27 CO 0.03 0.35 -0.16 -0.07 -0.00 0.00 0.00 176.91 177.06 2aym h LEU 28 N 0.11 -0.37 -0.23 -0.10 3.38 -0.98 -3.37 115.31 113.75 2aym h LEU 28 Ca 0.02 -0.15 -0.13 0.00 0.09 0.00 0.00 57.88 57.71 2aym h LEU 28 Cb 0.48 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 2aym h LEU 28 CO 0.03 0.09 -0.62 -0.26 0.09 0.00 0.00 178.44 177.77 2aym h PHE 29 N -0.98 0.00 0.00 1.13 -1.00 -0.84 -3.22 116.94 112.03 2aym h PHE 29 Ca -0.04 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.74 2aym h PHE 29 Cb 0.50 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.06 2aym h PHE 29 CO 0.03 0.62 0.00 -1.71 -1.61 0.00 0.00 178.31 175.65 2aym n ASN 30 N -3.35 0.14 -0.03 2.17 5.15 0.18 -1.57 115.26 117.96 2aym n ASN 30 Ca 0.01 0.55 0.13 0.00 -0.60 0.00 0.00 54.58 54.66 2aym n ASN 30 Cb 0.74 -0.57 0.55 0.00 -0.53 0.00 0.00 39.78 39.96 2aym n ASN 30 CO 0.00 0.00 0.00 1.56 1.40 0.00 0.00 177.26 180.22 2aym h GLN 31 N 0.00 0.29 -6.49 1.20 4.20 -1.71 -3.42 115.11 109.18 2aym h GLN 31 Ca 0.00 -0.02 -0.53 0.00 0.06 0.00 0.00 58.65 58.16 2aym h GLN 31 Cb 0.15 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.84 2aym h GLN 31 CO 0.00 0.19 0.18 -0.06 -0.67 0.00 0.00 178.83 178.47 2aym s PHE 32 N -5.29 3.88 0.00 2.96 0.08 -0.61 -4.95 117.98 114.05 2aym s PHE 32 Ca -0.07 1.61 0.00 0.00 0.12 0.00 0.00 56.93 58.59 2aym s PHE 32 Cb 0.19 -2.78 0.00 0.00 -0.57 0.00 0.00 43.02 39.86 2aym s PHE 32 CO 0.74 0.47 1.35 -0.35 -0.10 0.00 0.00 175.22 177.32 2aym n PRO 33 N 1.83 0.81 0.00 0.24 -0.04 -1.26 -2.84 135.00 133.74 2aym n PRO 33 Ca -0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 2aym n PRO 33 Cb 0.49 -1.10 0.00 0.00 -0.04 0.00 0.00 33.50 32.85 2aym n PRO 33 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2aym n GLY 34 N 1.26 1.00 3.59 0.55 0.00 -1.26 -5.04 105.19 105.29 2aym n GLY 34 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 2aym n GLY 34 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2aym n PHE 35 N 0.00 0.51 0.00 1.61 7.35 -1.13 -0.24 117.46 125.56 2aym n PHE 35 Ca 0.00 0.43 0.00 0.00 -0.76 0.00 0.00 57.45 57.12 2aym n PHE 35 Cb 0.14 -2.10 0.00 0.00 0.35 0.00 0.00 39.48 37.88 2aym n PHE 35 CO 0.00 0.00 0.00 1.17 -0.76 0.00 0.00 176.76 177.17 2aym n LYS 36 N -0.96 0.00 -3.73 -4.13 4.81 -0.39 -4.59 118.16 109.19 2aym n LYS 36 Ca 0.14 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.50 2aym n LYS 36 Cb 0.48 -0.28 -0.02 0.00 0.02 0.00 0.00 35.03 35.22 2aym n LYS 36 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 2aym s GLU 37 N -1.55 1.54 0.07 1.64 2.12 -0.47 -4.98 118.70 117.07 2aym s GLU 37 Ca 0.00 -0.79 0.03 0.00 0.36 0.00 0.00 54.97 54.57 2aym s GLU 37 Cb 0.00 0.57 -0.03 0.00 0.26 0.00 0.00 34.13 34.93 2aym s GLU 37 CO 0.00 -0.70 -0.09 0.08 -0.54 0.00 0.00 175.26 174.01 2aym s VAL 38 N -3.76 0.72 -0.21 3.70 1.01 -1.26 -0.81 120.40 119.79 2aym s VAL 38 Ca 0.09 -1.36 -0.04 0.00 0.00 0.00 0.00 61.98 60.67 2aym s VAL 38 Cb -0.04 -0.99 0.09 0.00 0.00 0.00 0.00 36.38 35.44 2aym s VAL 38 CO 0.01 -0.48 0.18 -0.60 0.00 0.00 0.00 175.10 174.21 2aym s ARG 39 N -2.20 0.16 0.95 2.72 6.06 -0.00 -4.98 118.95 121.65 2aym s ARG 39 Ca -0.02 0.01 -0.13 0.00 -2.50 0.00 0.00 55.73 53.09 2aym s ARG 39 Cb -0.06 -1.37 0.16 0.00 0.06 0.00 0.00 34.95 33.74 2aym s ARG 39 CO -0.00 -0.72 1.13 -0.51 -2.50 0.00 0.00 175.30 172.70 2aym s LEU 40 N 2.25 1.88 -0.44 -0.88 2.01 -1.26 -0.67 118.68 121.56 2aym s LEU 40 Ca 0.06 0.96 -0.07 0.00 0.01 0.00 0.00 54.13 55.09 2aym s LEU 40 Cb -0.16 -3.22 0.11 0.00 0.01 0.00 0.00 46.19 42.94 2aym s LEU 40 CO -0.15 -2.75 0.28 -0.69 1.01 0.00 0.00 176.35 174.05 2aym s VAL 41 N -3.23 3.84 -0.54 -1.59 1.01 -1.22 -4.89 120.40 113.79 2aym s VAL 41 Ca 0.65 -1.85 0.00 0.00 0.00 0.00 0.00 61.98 60.78 2aym s VAL 41 Cb -0.15 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.69 2aym s VAL 41 CO 0.54 -0.71 0.45 -0.81 0.00 0.00 0.00 175.10 174.57 2aym n PRO 42 N 4.79 0.61 0.00 2.72 -0.04 -1.26 -0.81 135.00 141.00 2aym n PRO 42 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 2aym n PRO 42 Cb 0.41 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.62 2aym n PRO 42 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2aym n ASN 43 N 0.43 0.03 -3.07 3.54 0.23 -1.26 -4.91 115.26 110.25 2aym n ASN 43 Ca 0.00 -0.24 -0.18 0.00 -0.53 0.00 0.00 54.58 53.63 2aym n ASN 43 Cb 0.22 0.20 -0.04 0.00 -2.08 0.00 0.00 39.78 38.09 2aym n ASN 43 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2aym n ARG 44 N -0.20 0.60 0.11 -3.83 1.74 0.01 -4.99 116.66 110.09 2aym n ARG 44 Ca 0.00 -2.71 0.06 0.00 -0.77 0.00 0.00 57.85 54.43 2aym n ARG 44 Cb 0.03 -1.39 0.33 0.00 -1.02 0.00 0.00 32.46 30.40 2aym n ARG 44 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 2aym n HIS 45 N 1.92 0.41 0.85 -1.55 8.25 -0.96 -1.75 115.22 122.38 2aym n HIS 45 Ca 0.19 0.22 0.09 0.00 -0.26 0.00 0.00 57.72 57.96 2aym n HIS 45 Cb 0.55 -0.78 0.46 0.00 1.12 0.00 0.00 29.99 31.34 2aym n HIS 45 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 2aym n ASP 46 N -1.92 0.00 -4.27 0.41 5.75 -1.25 -4.54 116.55 110.73 2aym n ASP 46 Ca -0.01 0.05 -0.15 0.00 -0.01 0.00 0.00 54.79 54.67 2aym n ASP 46 Cb 0.11 -0.30 -0.10 0.00 -1.03 0.00 0.00 41.12 39.80 2aym n ASP 46 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 2aym s ILE 47 N -2.59 1.21 0.30 2.12 -4.36 -0.72 -1.28 121.20 115.87 2aym s ILE 47 Ca 0.17 -2.07 -0.19 0.00 -0.26 0.00 0.00 60.65 58.30 2aym s ILE 47 Cb 0.12 -1.95 0.06 0.00 1.25 0.00 0.00 42.46 41.94 2aym s ILE 47 CO 0.28 -0.66 0.88 0.00 0.24 0.00 0.00 174.94 175.67 2aym s ALA 48 N -3.31 -1.11 0.07 2.27 0.00 -0.41 -3.39 121.76 115.88 2aym s ALA 48 Ca 0.19 -0.53 0.05 0.00 0.00 0.00 0.00 51.96 51.67 2aym s ALA 48 Cb 0.03 0.71 -0.03 0.00 0.00 0.00 0.00 23.12 23.83 2aym s ALA 48 CO 0.02 -1.02 -0.13 -0.06 0.00 0.00 0.00 175.76 174.57 2aym s PHE 49 N -2.44 1.15 0.03 0.00 0.40 0.15 -0.69 117.98 116.59 2aym s PHE 49 Ca 0.17 -0.46 0.02 0.00 -0.60 0.00 0.00 56.93 56.06 2aym s PHE 49 Cb -0.04 -0.65 -0.02 0.00 0.51 0.00 0.00 43.02 42.82 2aym s PHE 49 CO 0.09 0.04 -0.06 0.08 0.70 0.00 0.00 175.22 176.06 2aym s VAL 50 N -1.26 0.44 0.01 -0.44 1.01 -0.56 -0.82 120.40 118.78 2aym s VAL 50 Ca -0.03 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.12 2aym s VAL 50 Cb -0.10 -0.49 -0.01 0.00 0.00 0.00 0.00 36.38 35.79 2aym s VAL 50 CO 0.02 -0.28 -0.03 -0.70 0.00 0.00 0.00 175.10 174.11 2aym s GLU 51 N -1.21 0.26 0.31 2.72 2.12 0.01 -0.62 118.70 122.29 2aym s GLU 51 Ca -0.08 -0.25 0.04 0.00 0.36 0.00 0.00 54.97 55.04 2aym s GLU 51 Cb -0.08 -0.16 -0.06 0.00 0.26 0.00 0.00 34.13 34.09 2aym s GLU 51 CO 0.00 0.04 0.04 -0.06 -0.54 0.00 0.00 175.26 174.74 2aym s PHE 52 N -0.43 1.92 0.09 5.30 0.40 -0.45 -1.26 117.98 123.56 2aym s PHE 52 Ca -0.03 -0.94 -0.20 0.00 -0.60 0.00 0.00 56.93 55.17 2aym s PHE 52 Cb -0.03 -1.23 -0.09 0.00 0.51 0.00 0.00 43.02 42.18 2aym s PHE 52 CO -0.00 0.02 1.60 1.15 0.70 0.00 0.00 175.22 178.69 2aym h THR 53 N 2.17 1.19 -3.85 0.64 2.02 -0.86 -3.45 112.91 110.77 2aym h THR 53 Ca -0.40 -0.60 -0.23 0.00 0.77 0.00 0.00 66.41 65.95 2aym h THR 53 Cb 1.24 1.19 -0.25 0.00 -1.74 0.00 0.00 68.15 68.59 2aym h THR 53 CO 0.69 0.19 -0.72 0.42 0.37 0.00 0.00 175.52 176.47 2aym s THR 54 N -5.39 0.14 0.36 3.16 -4.23 -1.26 -5.04 115.64 103.37 2aym s THR 54 Ca -0.14 -0.41 0.04 0.00 -1.18 0.00 0.00 61.69 60.00 2aym s THR 54 Cb 0.07 -0.19 0.28 0.00 1.34 0.00 0.00 72.50 74.00 2aym s THR 54 CO 0.72 -0.17 1.99 -0.33 -0.54 0.00 0.00 174.62 176.29 2aym h GLU 55 N 5.52 0.78 -0.01 3.99 3.07 -1.88 -0.97 114.58 125.09 2aym h GLU 55 Ca -0.28 -0.05 -0.14 0.00 -0.50 0.00 0.00 59.36 58.40 2aym h GLU 55 Cb 1.21 -0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 28.92 2aym h GLU 55 CO 0.47 0.52 -0.64 -0.07 -1.40 0.00 0.00 179.01 177.88 2aym h LEU 56 N 0.81 0.03 0.23 1.33 3.38 -1.93 -0.70 115.31 118.46 2aym h LEU 56 Ca 0.26 -0.02 -0.33 0.00 0.09 0.00 0.00 57.88 57.88 2aym h LEU 56 Cb 0.04 -0.01 0.03 0.00 0.09 0.00 0.00 40.66 40.81 2aym h LEU 56 CO -0.07 0.67 -1.43 1.56 0.09 0.00 0.00 178.44 179.26 2aym h GLN 57 N 0.02 0.51 -0.92 1.13 4.20 -1.60 -1.11 115.11 117.35 2aym h GLN 57 Ca -0.01 -0.86 -0.00 0.00 0.06 0.00 0.00 58.65 57.84 2aym h GLN 57 Cb 1.14 0.32 -0.04 0.00 0.30 0.00 0.00 27.48 29.19 2aym h GLN 57 CO 0.09 1.41 0.56 0.66 -0.67 0.00 0.00 178.83 180.87 2aym h SER 58 N 0.15 1.10 0.14 1.46 4.64 -1.32 -0.34 113.55 119.39 2aym h SER 58 Ca -0.23 -0.06 0.02 0.00 -0.47 0.00 0.00 61.79 61.04 2aym h SER 58 Cb 2.13 -0.28 -0.04 0.00 -0.31 0.00 0.00 62.40 63.90 2aym h SER 58 CO 0.26 0.84 -0.30 -1.13 -0.87 0.00 0.00 176.83 175.63 2aym h ASN 59 N 1.26 -0.87 -0.82 4.97 -1.24 -1.09 0.77 115.58 118.57 2aym h ASN 59 Ca 0.33 0.10 -0.01 0.00 0.71 0.00 0.00 56.30 57.42 2aym h ASN 59 Cb -0.06 0.33 -0.04 0.00 0.73 0.00 0.00 38.32 39.27 2aym h ASN 59 CO -0.06 -0.40 0.46 0.00 -1.29 0.00 0.00 177.43 176.14 2aym h ALA 60 N 0.12 1.05 -0.68 1.57 0.00 -0.85 -0.35 119.26 120.12 2aym h ALA 60 Ca 0.03 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 2aym h ALA 60 Cb 0.56 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 2aym h ALA 60 CO -0.16 0.55 0.27 0.00 0.00 0.00 0.00 179.25 179.90 2aym h ALA 61 N 1.24 0.89 0.28 0.00 0.00 -0.91 -0.66 119.26 120.11 2aym h ALA 61 Ca 0.29 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2aym h ALA 61 Cb 0.01 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 2aym h ALA 61 CO -0.05 0.51 -0.17 -0.22 0.00 0.00 0.00 179.25 179.33 2aym h LYS 62 N 0.97 -0.41 -0.10 0.00 3.64 -0.22 -0.68 116.57 119.76 2aym h LYS 62 Ca 0.23 0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.60 2aym h LYS 62 Cb 0.22 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 2aym h LYS 62 CO -0.02 -0.28 -0.07 0.93 -2.27 0.00 0.00 179.45 177.74 2aym h GLU 63 N -0.43 0.15 -0.25 1.90 4.39 -0.87 0.23 114.58 119.70 2aym h GLU 63 Ca -0.03 -0.02 -0.15 0.00 0.34 0.00 0.00 59.36 59.49 2aym h GLU 63 Cb 0.35 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 2aym h GLU 63 CO 0.04 0.24 -0.44 0.00 -1.16 0.00 0.00 179.01 177.69 2aym h ALA 64 N 1.78 0.39 -0.01 3.43 0.00 -0.84 -3.36 119.26 120.64 2aym h ALA 64 Ca 0.03 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2aym h ALA 64 Cb 0.23 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2aym h ALA 64 CO 0.01 0.52 -0.24 1.28 0.00 0.00 0.00 179.25 180.82 2aym n LEU 65 N -4.16 1.74 -4.67 0.00 4.77 -0.29 -4.86 117.00 109.53 2aym n LEU 65 Ca -0.05 -0.82 -0.46 0.00 -0.03 0.00 0.00 56.01 54.65 2aym n LEU 65 Cb 0.56 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.61 2aym n LEU 65 CO 0.47 0.33 1.22 0.00 -1.33 0.00 0.00 177.39 178.08 2aym n GLN 66 N 0.10 2.15 -0.93 3.23 6.02 0.03 -1.46 117.38 126.52 2aym n GLN 66 Ca 0.07 0.78 0.00 0.00 -0.01 0.00 0.00 57.00 57.84 2aym n GLN 66 Cb 0.34 -2.55 0.00 0.00 1.02 0.00 0.00 30.24 29.05 2aym n GLN 66 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2aym n GLY 67 N 3.49 0.92 3.68 1.08 0.00 0.30 -4.99 105.19 109.67 2aym n GLY 67 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 2aym n GLY 67 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2aym s PHE 68 N -3.68 2.54 -0.32 1.61 5.36 -0.54 -4.47 117.98 118.49 2aym s PHE 68 Ca 0.00 0.58 -0.28 0.00 -0.96 0.00 0.00 56.93 56.27 2aym s PHE 68 Cb 0.00 -3.77 -0.04 0.00 -0.34 0.00 0.00 43.02 38.87 2aym s PHE 68 CO 0.00 -3.02 2.02 0.15 -1.46 0.00 0.00 175.22 172.92 2aym s LYS 69 N 2.97 3.10 0.04 10.12 3.01 -1.26 -0.40 119.74 137.33 2aym s LYS 69 Ca 0.67 1.62 -0.19 0.00 -1.01 0.00 0.00 55.97 57.06 2aym s LYS 69 Cb -0.33 -4.31 -0.16 0.00 -1.01 0.00 0.00 37.83 32.03 2aym s LYS 69 CO 0.27 -2.14 1.28 0.82 0.51 0.00 0.00 175.35 176.10 2aym h ILE 70 N 7.03 1.36 -3.50 2.17 2.04 -1.54 -3.46 117.51 121.62 2aym h ILE 70 Ca -0.35 -1.59 -0.31 0.00 1.00 0.00 0.00 64.86 63.61 2aym h ILE 70 Cb 1.20 2.03 -0.15 0.00 -0.74 0.00 0.00 36.82 39.17 2aym h ILE 70 CO 1.03 0.47 -0.69 0.42 0.00 0.00 0.00 178.15 179.38 2aym s THR 71 N -3.96 0.99 0.66 -0.27 -4.23 -1.25 -5.03 115.64 102.54 2aym s THR 71 Ca -0.13 -2.02 0.20 0.00 -1.18 0.00 0.00 61.69 58.55 2aym s THR 71 Cb 0.06 -1.95 0.22 0.00 1.34 0.00 0.00 72.50 72.16 2aym s THR 71 CO 0.79 -0.65 1.60 -0.65 -0.54 0.00 0.00 174.62 175.17 2aym h PRO 72 N 2.74 0.00 0.00 3.99 0.11 -2.00 -0.64 132.00 136.20 2aym h PRO 72 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2aym h PRO 72 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2aym h PRO 72 CO 0.64 0.00 -0.01 0.25 -0.21 0.00 0.00 178.00 178.67 2aym n THR 73 N -2.85 0.90 -3.54 -1.15 -2.24 -1.26 -4.87 114.28 99.28 2aym n THR 73 Ca 0.01 -0.93 -0.27 0.00 -2.27 0.00 0.00 64.05 60.59 2aym n THR 73 Cb 0.65 0.52 -0.10 0.00 -2.10 0.00 0.00 70.33 69.30 2aym n THR 73 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2aym n HIS 74 N -0.49 0.95 -2.02 4.78 8.25 -0.25 -5.04 115.22 121.41 2aym n HIS 74 Ca 0.01 -3.75 -0.43 0.00 -0.26 0.00 0.00 57.72 53.29 2aym n HIS 74 Cb 0.32 -0.18 -0.03 0.00 1.12 0.00 0.00 29.99 31.23 2aym n HIS 74 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2aym s ALA 75 N -0.84 3.19 -0.01 -1.41 0.00 -1.26 -1.25 121.76 120.19 2aym s ALA 75 Ca 0.31 0.54 -0.37 0.00 0.00 0.00 0.00 51.96 52.44 2aym s ALA 75 Cb 0.04 -3.89 -0.16 0.00 0.00 0.00 0.00 23.12 19.11 2aym s ALA 75 CO -0.16 -2.09 1.50 -0.12 0.00 0.00 0.00 175.76 174.89 2aym n MET 76 N 7.86 1.33 -4.36 0.00 1.56 0.46 -4.74 117.12 119.23 2aym n MET 76 Ca 0.20 0.48 -0.34 0.00 -0.27 0.00 0.00 57.70 57.78 2aym n MET 76 Cb 0.45 -2.16 -0.09 0.00 2.15 0.00 0.00 33.22 33.56 2aym n MET 76 CO 0.00 0.00 0.00 0.21 -0.73 0.00 0.00 175.97 175.45 2aym s LYS 77 N 1.52 2.84 0.00 2.12 2.20 -0.44 -0.54 119.74 127.44 2aym s LYS 77 Ca 0.88 -0.54 -0.01 0.00 -0.36 0.00 0.00 55.97 55.95 2aym s LYS 77 Cb -0.94 -2.70 -0.00 0.00 -1.51 0.00 0.00 37.83 32.68 2aym s LYS 77 CO 0.51 0.66 0.00 0.42 -0.36 0.00 0.00 175.35 176.58 2aym s ILE 78 N -0.98 0.03 0.04 5.43 1.01 -1.26 -1.02 121.20 124.45 2aym s ILE 78 Ca 0.17 -0.29 -0.02 0.00 0.00 0.00 0.00 60.65 60.51 2aym s ILE 78 Cb -0.11 -0.11 -0.03 0.00 0.01 0.00 0.00 42.46 42.22 2aym s ILE 78 CO 0.06 -0.16 -0.01 0.42 0.00 0.00 0.00 174.94 175.26 2aym s THR 79 N -0.46 0.18 0.40 2.92 -4.23 0.05 -5.00 115.64 109.49 2aym s THR 79 Ca -0.05 -1.51 -0.26 0.00 -1.18 0.00 0.00 61.69 58.69 2aym s THR 79 Cb -0.03 -1.17 -0.09 0.00 1.34 0.00 0.00 72.50 72.55 2aym s THR 79 CO -0.00 -0.83 1.29 -0.36 -0.54 0.00 0.00 174.62 174.17 2aym s PHE 80 N -3.24 2.87 0.66 3.99 0.08 -1.26 -0.79 117.98 120.29 2aym s PHE 80 Ca 0.01 1.43 -0.11 0.00 0.12 0.00 0.00 56.93 58.37 2aym s PHE 80 Cb 0.03 -3.64 -0.01 0.00 -0.57 0.00 0.00 43.02 38.83 2aym s PHE 80 CO -0.08 -1.98 1.06 0.00 -0.10 0.00 0.00 175.22 174.12 2aym s ALA 81 N -1.27 3.00 -0.16 5.36 0.00 -0.34 -4.49 121.76 123.87 2aym s ALA 81 Ca 0.56 -0.24 0.14 0.00 0.00 0.00 0.00 51.96 52.43 2aym s ALA 81 Cb -0.37 -3.04 0.38 0.00 0.00 0.00 0.00 23.12 20.08 2aym s ALA 81 CO 0.48 -0.93 1.19 1.63 0.00 0.00 0.00 175.76 178.13 2aym n LYS 82 N -2.88 1.24 0.00 0.00 4.01 -1.26 -4.82 118.16 114.44 2aym n LYS 82 Ca 0.06 -2.89 0.00 0.00 -0.51 0.00 0.00 58.31 54.97 2aym n LYS 82 Cb 0.56 -1.32 0.00 0.00 -0.51 0.00 0.00 35.03 33.75 2aym n LYS 82 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92